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CAS 1591-31-7 4-Iodobiphenyl molecular structure lightbox
CAS RN: 1591-31-7

4-Iodobiphenyl

Product Availability

Choose a grade to view its available package options.

8 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250714 100g In stock Shenzhen Inquiry
Batchno.20250614 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251108 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
Batchno.20250113 1kg In stock Wuhan Inquiry
Batchno.20260125 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250130 500g Out of stock Inquiry
Batchno.20260301 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250422 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-067179
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 5g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1591-31-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
10g ≥98% 5 In Stock Shenzhen Inquiry
5g ≥98% 4 In Stock Beijing Inquiry
25g ≥98% 2 In Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry

1591-31-7 / 1-iodo-4-phenylbenzene

Standard CAS: 1591-31-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1591-31-7
Multi CAS
No
Molecular Formula
C12H9I
Molecular Weight
280.100000
Exact Mass
279.974900
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)I
InChI
InChI=1S/C12H9I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey
NXYICUMSYKIABQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
64.6
TPSA
0.0000

LogP / Solubility

WLOGP
3.96
MLOGP
3.49
XLogP3
4.9
Consensus LogP
4.12
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (89.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H400 (97.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501

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